CAS RN: 1151240-91-3
(R)-Ethyl 2,4,5-trifluoro-b-homophenylalaninateHCl
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260623 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1151240-91-3
- Purity/Analytical Methods: >99.0%
1151240-91-3 / ethyl (3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoate
ETHYL 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE | ETHYL3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE | ALV9EH28MQ
Basic Information
CAS
1151240-91-3
Multi CAS
Yes
Molecular Formula
C12H14F3NO2
Molecular Weight
261.240000
Exact Mass
261.097663
SMILES
CCOC(=O)C[C@@H](CC1=CC(=C(C=C1F)F)F)N
InChI
InChI=1S/C12H14F3NO2/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4,6,8H,2-3,5,16H2,1H3/t8-/m1/s1
InChIKey
SCAQGFRAYMMTNM-MRVPVSSYSA-N
Synonyms
ETHYL 3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
ETHYL3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOATE
ALV9EH28MQ
SCHEMBL3985105
SCHEMBL25663565
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.25
TPSA
52.32
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
1.8
Consensus LogP
1.81
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
![CAS 1151397-80-6 9-Fluoro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
9-Fluoro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one
- CAS RN: 1151397-80-6
- Product Code: starshine_CAS1151397-80-6
- Purity/Analytical method: >99.0%
-
4-bromothieno[2,3-c]pyridine-2-carboxylic acid
- CAS RN: 1151512-25-2
- Product Code: SSC-014846
-
RDEA-594 sodiuM
- CAS RN: 1151516-14-1
- Product Code: starshine_CAS1151516-14-1
- Purity/Analytical method: >99.0%
-
2-(2-CHLORO-3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE
- CAS RN: 1151564-03-2
- Product Code: SSC-014849
-
2-Chloro-3-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenol
- CAS RN: 1151564-17-8
- Product Code: SSC-014850
-
tert-butyl 2-chloro-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate
- CAS RN: 1151665-15-4
- Product Code: SSC-014851
![CAS 1151397-80-6 9-Fluoro-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1151397-80-6.gif)
![CAS 1151512-25-2 4-bromothieno[2,3-c]pyridine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1151512-25-2.gif)
![CAS 1151564-03-2 2-(2-CHLORO-3-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2664211.gif)
![CAS 1151564-17-8 2-Chloro-3-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1151564-17-8.gif)
